Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000751 (Staphylococcus - Mars 2016)

Download : Data.csv | 3D Models


Tab legend :
    Full name of ligand selected in the comparative docking column:

    General color information : Quality: [ Good | Correct | Uncertain ]
QueryStructural Alignment (SA)3D Modeling AnnotationLigands from PDB templatesPredicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]




Query Sequence
Filter:
Significants
SA found
Seq Ident. 3D Core
(QMean Score)
Classification code

Binding Site Ligands Found
(Procognate)
Profile Complexes by comparative docking
(ligands from PDB templates)

Targets
for screening


Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
250SA02530 29% 0.125 PF02529 2 - (0)? - / - / - 0
251SA025411 100% 0.499 PF07702 8 - (0)? - / - / - 0
252SA025517 39% 0.559 PF00358 0 - (0)? - / - / - 0
253SA025623 61% 0.611 PF00232 C3_S191 - (72)12 - / 2 / 8 6
254SA02576 38% 0.398 PF08241 38 - (18)? - / - / - 0
255SA025824 99% 0.575 PF00294 C1_S163 - (52)9 - / 5 / 16 4
256SA025928 100% 0.537 PF05025 C5_S126 - (0)6 - / - / 13 1
257SA02602 42% 0.133 PF00710 5 - (0)? - / - / - 0
258SA026121 43% 0.540 PF00356 C1_S134 - (0)2 - / - / 4 1
259SA02620 33% -0.009 PF02383 2 - (0)? - / - / - 0
260SA02639 26% 0.193 PF07690 13 - (0)? - / - / - 0
261SA026420 34% 0.481 PF02275 12 - (9)? - / - / - 0
262SA026519 100% 0.645 PF01551 C6_S13 - (0)2 - / - / 2 1
263SA026623 33% 0.359 PF08402 C1_S19 - (0)5 - / 3 / 1 2
264SA02671 32% 0.431 PF07516 1 - (0)? - / - / - 0
265SA02681 29% 0.368 PF03466 2 - (0)? - / - / - 0
266SA02690 48% 0.296 PF07976 0 - (0)? - / - / - 0
267SA02707 61% 0.451 PF00877 7 - (0)? - / - / - 0
268SA027110 100% 0.611 PF06013 2 - (0)? - / - / - 0
269SA02721 28% 0.648 PF03104 26 - (26)? - / - / - 0
270SA02730 42% 0.281 PF04137 3 - (0)? - / - / - 0
271SA027415 31% 0.478 PF00240 1 - (0)? - / - / - 0
272SA027512 100% 0.493 PF00069 0 - (0)? - / - / - 0
273SA027618 36% 0.451 PF01580 C2_S14 - (0)2 - / - / 2 1
274SA02770 39% 0.407 PF00210 0 - (0)? - / - / - 0
275SA02788 37% 0.434 PF06013 2 - (0)? - / - / - 0
276SA02790 41% 0.426 PF02275 4 - (0)? - / - / - 0
277SA02803 43% 0.562 PF06013 2 - (0)? - / - / - 0
278SA02812 36% 0.444 PF02852 12 - (9)? - / - / - 0
279SA02820 40% 0.190 PF09266 2 - (0)? - / - / - 0
280SA02830 44% 0.119 PF01433 7 - (0)? - / - / - 0
281SA02840 27% 0.082 PF05115 3 - (0)? - / - / - 0
282SA02850 38% 0.273 PF02162 6 - (0)? - / - / - 0
283SA02863 36% 0.644 PF13181 0 - (0)? - / - / - 0
284SA02873 45% 0.565 PF00520 0 - (0)? - / - / - 0
285SA02883 35% 0.613 PF02431 0 - (0)? - / - / - 0
286SA02893 45% 0.548 PF00456 0 - (0)? - / - / - 0
287SA02903 42% 0.550 PF00456 5 - (0)? - / - / - 0
288SA02910 50% -0.014 PF01557 6 - (0)? - / - / - 0
289SA02920 35% 0.352 PF02126 15 - (13)? - / - / - 0
290SA02939 57% 0.374 PF01226 30 - (0)? - / - / - 0
291SA02945 19% 0.227 PF13520 2 - (0)? - / - / - 0
292SA029518 49% 0.575 PF03767 C3_S118 - (1)8 - / - / 7 5
293SA02960 38% 0.166 PF04423 3 - (0)? - / - / - 0
294SA029746 38% 0.601 PF00005 C1_S141 - (0)12 - / 13 / 15 5
295SA02981 43% 0.119 PF00291 7 - (0)? - / - / - 0
296SA029914 42% 0.425 PF00294 32 - (25)? - / - / - 0
297SA03000 51% 0.430 PF00294 80 - (0)? - / - / - 0
298SA030115 57% 0.633 PF04227 C5_S111 - (0)7 - / - / 5 3
299SA030210 29% 0.390 PF02285 C9_S112 - (0)1 - / - / 1 0
300SA03037 30% 0.331 PF13520 3 - (0)0 - / - / - 0

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